5,6-diethyl-1,4-dithian-2-ol

C8H16OS2 — CID 58105778

IUPAC5,6-diethyl-1,4-dithian-2-ol
SMILESCCC1SCC(O)SC1CC
InChIInChI=1S/C8H16OS2/c1-3-6-7(4-2)11-8(9)5-10-6/h6-9H,3-5H2,1-2H3
InChIKeyXQUAVZVBMBIWDY-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.34
Rot. Bonds2

About 5,6-diethyl-1,4-dithian-2-ol

5,6-diethyl-1,4-dithian-2-ol (PubChem CID 58105778) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5,6-diethyl-1,4-dithian-2-ol.

Molecular Properties

Compound Name5,6-diethyl-1,4-dithian-2-ol
PubChem CID58105778
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name5,6-diethyl-1,4-dithian-2-ol
SMILESCCC1SCC(O)SC1CC
InChIInChI=1S/C8H16OS2/c1-3-6-7(4-2)11-8(9)5-10-6/h6-9H,3-5H2,1-2H3
InChIKeyXQUAVZVBMBIWDY-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-diethyl-1,4-dithian-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-5-ethyl-4-methylthiolan-2-ol
CID 118119174
5-ethyl-1,4-dithian-2-ol
CID 58105841
(4R)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-2-ol
CID 167005513
(3aS,4S,6aR)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-2-ol
CID 149237539
5,6-diethyl-2-methyl-1,4-dithian-2-ol
CID 58105787
(4S,5S)-thiane-2,4,5-triol
CID 13309262
(3aS,4R,5R,7R,8R,8aS)-5,7-diethyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
CID 54528686
CID 123767496
CID 123767496
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane
CID 11355553
(2R,3R)-2-ethyl-3,4,5-trimethylthiolane
CID 59070028
2-ethyl-5-methylthiolane-3-thiol
CID 22572183

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1,4-dithian-2-ol?
The IUPAC name of 5,6-diethyl-1,4-dithian-2-ol (CID 58105778) is 5,6-diethyl-1,4-dithian-2-ol.
What is the SMILES notation for 5,6-diethyl-1,4-dithian-2-ol?
The canonical SMILES for 5,6-diethyl-1,4-dithian-2-ol is CCC1SCC(O)SC1CC.
What is the InChIKey of 5,6-diethyl-1,4-dithian-2-ol?
The InChIKey is XQUAVZVBMBIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-3-6-7(4-2)11-8(9)5-10-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 5,6-diethyl-1,4-dithian-2-ol?
5,6-diethyl-1,4-dithian-2-ol has a molecular weight of 192.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1,4-dithian-2-ol is sourced from PubChem (CID 58105778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).